1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol

C22H18F3N5OS — CID 90149405

IUPAC1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESC=C(Nc1ccc(-c2cnc(C(C)(O)c3cccc(C(F)(F)F)c3)[nH]2)nc1)c1cscn1
InChIInChI=1S/C22H18F3N5OS/c1-13(19-11-32-12-28-19)29-16-6-7-17(26-9-16)18-10-27-20(30-18)21(2,31)14-4-3-5-15(8-14)22(23,24)25/h3-12,29,31H,1H2,2H3,(H,27,30)
InChIKeyXWPLJNZDKQLEBI-UHFFFAOYSA-N
MW457.48 g/mol
LogP5.29
Rot. Bonds6

About 1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol

1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 90149405) has the molecular formula C22H18F3N5OS and a molecular weight of 457.48 g/mol. Its IUPAC name is 1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID90149405
Molecular FormulaC22H18F3N5OS
Molecular Weight457.48 g/mol
Exact Mass457.12
IUPAC Name1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESC=C(Nc1ccc(-c2cnc(C(C)(O)c3cccc(C(F)(F)F)c3)[nH]2)nc1)c1cscn1
InChIInChI=1S/C22H18F3N5OS/c1-13(19-11-32-12-28-19)29-16-6-7-17(26-9-16)18-10-27-20(30-18)21(2,31)14-4-3-5-15(8-14)22(23,24)25/h3-12,29,31H,1H2,2H3,(H,27,30)
InChIKeyXWPLJNZDKQLEBI-UHFFFAOYSA-N
XLogP5.29
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.48
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-1H-imidazol-5-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 90149497
(2S)-N-[6-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 146871892
N-[5-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 141025170
N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 74223854
ethylbenzene;1-[4-[5-(methylamino)-2-pyridinyl]-1-pent-4-enylimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol;1,3-thiazole-4-carbaldehyde
CID 144619922
N-(6-amino-3-pyridinyl)-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119515907
N-[4-[3-methyl-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149338
N-[5-[1-[3,5-bis(trifluoromethyl)phenyl]ethylcarbamothioylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 6915709
N-[4-[2-[[4-phenylmethoxy-2-[3-(trifluoromethyl)phenyl]butanoyl]amino]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 118494569
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 111108640
N-[6-[1-(3-phenylmethoxypropyl)-2-[3-(trifluoromethyl)benzoyl]imidazol-4-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 90149449
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787437

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 90149405) is 1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol is C=C(Nc1ccc(-c2cnc(C(C)(O)c3cccc(C(F)(F)F)c3)[nH]2)nc1)c1cscn1.
What is the InChIKey of 1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is XWPLJNZDKQLEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5OS/c1-13(19-11-32-12-28-19)29-16-6-7-17(26-9-16)18-10-27-20(30-18)21(2,31)14-4-3-5-15(8-14)22(23,24)25/h3-12,29,31H,1H2,2H3,(H,27,30).
What are the key properties of 1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol?
1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 457.48 g/mol, XLogP of 5.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-[1-(1,3-thiazol-4-yl)ethenylamino]-2-pyridinyl]-1H-imidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 90149405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).